SCHEMBL628795

SCHEMBL628795

O=C(O)Cc1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.49
RXRB P28702 7/20 0.49
RXRG P48443 7/20 0.49
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL629167 0.92 RXRA (0.53) RXRARXRBRXRGPPARGPPARA
SCHEMBL629104 0.91 S1PR1 (0.43) RXRARXRBRXRGPPARGPPARA
SCHEMBL629626 0.88 RXRA (0.57) RXRARXRBRXRGPPARGPPARA
SCHEMBL628021 0.84 PPARG (0.41) RXRARXRBRXRGPPARGPPARA
SCHEMBL628808 0.80 LMNA (0.41) RXRARXRBRXRGPPARGPPARA
SCHEMBL2434658 0.79 PTPN11 (0.44) PPARGPPARAS1PR1
SCHEMBL2638693 0.78 RXRA (0.45) RXRARXRBRXRGS1PR1
SCHEMBL10029562 0.78 LMNA (0.42) LMNAGAATSHRKMT2A
SCHEMBL628001 0.78 LMNA (0.46) RXRARXRBRXRGPPARGPPARA
SCHEMBL866323 0.77 EIF4E (0.43) PPARGPPARAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 RXRA 11/4885RXRB 5/4885RXRG 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.